2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid

C12H19NO3 — CID 104595064

IUPAC2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
SMILESCC1CC1C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H19NO3/c1-8-7-9(8)10(14)13-6-4-3-5-12(13,2)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyMHWUFEGOMRPZOG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid

2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid (PubChem CID 104595064) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
PubChem CID104595064
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
SMILESCC1CC1C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H19NO3/c1-8-7-9(8)10(14)13-6-4-3-5-12(13,2)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyMHWUFEGOMRPZOG-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-difluorocyclohexanecarbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594727
2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79759504
2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 104595183
1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107000430
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 106670570
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130703615
2-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104914695
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42614787
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 27281688
1-(6-azaspiro[2.5]octane-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597374
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
CID 103513470

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid (CID 104595064) is 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid is CC1CC1C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid?
The InChIKey is MHWUFEGOMRPZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-7-9(8)10(14)13-6-4-3-5-12(13,2)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid?
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104595064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).